[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C20H22N4O5S/c1-28-20(25)24-19-22-17-11-8-15(12-18(17)23-19)29-30(26,27)16-9-6-14(7-10-16)21-13-4-2-3-5-13/h6-13,21H,2-5H2,1H3,(H2,22,23,24,25)